Installation of GRACE

Download the compressed GRACE source code grace.tar

Make a directory for GRACE to reside

mkdir grace

Ensure the downloaded file is in the newly created directory and then untar the file as follows

tar -xvf grace.tar

To compile the code on a Silicon Graphics computer type

make sgi

To compile the code on a DEC computer type

make alpha

Now you must change the permissions on all the *.tcl files

chmod 777 *.tcl

 

Installation of other components

CAMVIB

Download the CAMVIB and CAM_SIZE Fortran file (see the DOWNLOAD on the menu panel),

the Fortran file can be complied as follows:

f77 –o camvib.exe camvib_2000.f

Which produces the camvib.exe executable.

The executable is run as follows

camvib.exe <hf.vib> hf.log&

 

CAMISO

Download the CAMISO and CAM_SIZE Fortran file (see the DOWNLOAD on the menu panel),

the Fortran file can be complied as follows:

f77 –o camiso.exe camiso_2000.f

Which produces the camiso.exe executable.

The executable is run as follows

camiso.exe <hf.iso> hf.iso.out&

 

CHARMM, TCL and GAMESS_UK or CADPAC are required for GRACE to function.

Installation of these programs is left to the individual programs manuals

Additions to your .cshrc file

Your .cshrc file must include the following lines so that GRACE knows where CHARMM, TCL and GAMESS_UK or CADPAC reside.

setenv GRACE_LIB /disk1/programs/grace

setenv GRACE_CHARMMEXEC /disk1/programs/charmm

setenv GRACE_SCRATCH /disk1/scratch/

setenv GRACE_CADPACEXEC /disk1/programs/cadpac

setenv GRACE_GAMESSEXEC /disk1/programs/gamess_uk